Geometry & MOs

Info

ID:	216665
PubChem CID:	85086579
Reduced:	N3S3H7C12 (1)
Stoich.:	A3B3C7D12 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	139.7
Dipole, Da:	9.34
IP(EA), eV:	-8.52(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CSC2=CC=C3C(=C4C(=NC(=S)N=C4S3)N)C21

DOS

IR

Vibrations